2-N-(1,3-benzothiazol-6-yl)-4-N-(6-fluoroimidazo[1,5-a]pyridin-3-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

C24H24FN9S — CID 10311145

IUPAC2-N-(1,3-benzothiazol-6-yl)-4-N-(6-fluoroimidazo[1,5-a]pyridin-3-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(Nc3ncc4ccc(F)cn34)nc(N(C)c3ccc4ncsc4c3)n2)CC1
InChIInChI=1S/C24H24FN9S/c1-31-7-9-33(10-8-31)22-12-21(28-23-26-13-18-4-3-16(25)14-34(18)23)29-24(30-22)32(2)17-5-6-19-20(11-17)35-15-27-19/h3-6,11-15H,7-10H2,1-2H3,(H,26,28,29,30)
InChIKeyKNONULLEZMWSPQ-UHFFFAOYSA-N
MW489.58 g/mol
LogP4.14
Rot. Bonds5

About 2-N-(1,3-benzothiazol-6-yl)-4-N-(6-fluoroimidazo[1,5-a]pyridin-3-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

2-N-(1,3-benzothiazol-6-yl)-4-N-(6-fluoroimidazo[1,5-a]pyridin-3-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine (PubChem CID 10311145) has the molecular formula C24H24FN9S and a molecular weight of 489.58 g/mol. Its IUPAC name is 2-N-(1,3-benzothiazol-6-yl)-4-N-(6-fluoroimidazo[1,5-a]pyridin-3-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,3-benzothiazol-6-yl)-4-N-(6-fluoroimidazo[1,5-a]pyridin-3-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
PubChem CID10311145
Molecular FormulaC24H24FN9S
Molecular Weight489.58 g/mol
Exact Mass489.19
IUPAC Name2-N-(1,3-benzothiazol-6-yl)-4-N-(6-fluoroimidazo[1,5-a]pyridin-3-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(Nc3ncc4ccc(F)cn34)nc(N(C)c3ccc4ncsc4c3)n2)CC1
InChIInChI=1S/C24H24FN9S/c1-31-7-9-33(10-8-31)22-12-21(28-23-26-13-18-4-3-16(25)14-34(18)23)29-24(30-22)32(2)17-5-6-19-20(11-17)35-15-27-19/h3-6,11-15H,7-10H2,1-2H3,(H,26,28,29,30)
InChIKeyKNONULLEZMWSPQ-UHFFFAOYSA-N
XLogP4.14
TPSA77.72 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-N-(1,3-benzothiazol-6-yl)-4-N-(6-fluoroimidazo[1,5-a]pyridin-3-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-[trans-3-(2-Methoxy-3h-Imidazo[4,5-B]pyridin-3-Yl)cyclobutyl]-1,3-Benzothiazol-2-Amine
CID 71680558
9-butyl-8-[(7-fluoro-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-6-amine
CID 11850833
4-(4-fluorophenyl)-12-methyl-N-[2-(piperidin-1-yl)ethyl]-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 25263294
N-cyclopentyl-5-[2-[[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 126534409
N-cyclopentyl-5-[5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 135296339
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-phenyl-1,3-thiazol-2-amine
CID 697303
N-(2-aminoethyl)-12-methyl-4-(pyridin-2-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093432
8-(1,3-benzothiazol-2-ylsulfanyl)-9-butyl-9H-purin-6-amine
CID 11850830
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 628020
N,N-dimethyl-N'-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]-1,4-benzenediamine hydrobromide
CID 1117217
4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 73774844
N-[4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)cyclohexyl]-1,3-benzothiazol-2-amine
CID 89763702

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzothiazol-6-yl)-4-N-(6-fluoroimidazo[1,5-a]pyridin-3-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1,3-benzothiazol-6-yl)-4-N-(6-fluoroimidazo[1,5-a]pyridin-3-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine (CID 10311145) is 2-N-(1,3-benzothiazol-6-yl)-4-N-(6-fluoroimidazo[1,5-a]pyridin-3-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1,3-benzothiazol-6-yl)-4-N-(6-fluoroimidazo[1,5-a]pyridin-3-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1,3-benzothiazol-6-yl)-4-N-(6-fluoroimidazo[1,5-a]pyridin-3-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine is CN1CCN(c2cc(Nc3ncc4ccc(F)cn34)nc(N(C)c3ccc4ncsc4c3)n2)CC1.
What is the InChIKey of 2-N-(1,3-benzothiazol-6-yl)-4-N-(6-fluoroimidazo[1,5-a]pyridin-3-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is KNONULLEZMWSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN9S/c1-31-7-9-33(10-8-31)22-12-21(28-23-26-13-18-4-3-16(25)14-34(18)23)29-24(30-22)32(2)17-5-6-19-20(11-17)35-15-27-19/h3-6,11-15H,7-10H2,1-2H3,(H,26,28,29,30).
What are the key properties of 2-N-(1,3-benzothiazol-6-yl)-4-N-(6-fluoroimidazo[1,5-a]pyridin-3-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
2-N-(1,3-benzothiazol-6-yl)-4-N-(6-fluoroimidazo[1,5-a]pyridin-3-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 489.58 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzothiazol-6-yl)-4-N-(6-fluoroimidazo[1,5-a]pyridin-3-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 10311145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).